3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-(4-cyanophenyl)-4-methyl-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C31H30N6O MolecularWeight: 502.6095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CN=CC=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H30N6O/c1-23-5-8-27(18-29(23)26-9-6-24(19-32)7-10-26)31(38)35-28-11-12-30(34-21-28)37-15-3-14-36(16-17-37)22-25-4-2-13-33-20-25/h2,4-13,18,20-21H,3,14-17,22H2,1H3,(H,35,38)